N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide

C17H24N6O — CID 99972818

IUPACN-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)NC[C@H](c1ccccc1)N1CCCCC1
InChIInChI=1S/C17H24N6O/c24-17(9-12-23-14-19-20-21-23)18-13-16(15-7-3-1-4-8-15)22-10-5-2-6-11-22/h1,3-4,7-8,14,16H,2,5-6,9-13H2,(H,18,24)/t16-/m1/s1
InChIKeyDZMCDONASMBAFF-MRXNPFEDSA-N
MW328.42 g/mol
LogP1.41
Rot. Bonds7

About N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide

N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide (PubChem CID 99972818) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide
PubChem CID99972818
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)NC[C@H](c1ccccc1)N1CCCCC1
InChIInChI=1S/C17H24N6O/c24-17(9-12-23-14-19-20-21-23)18-13-16(15-7-3-1-4-8-15)22-10-5-2-6-11-22/h1,3-4,7-8,14,16H,2,5-6,9-13H2,(H,18,24)/t16-/m1/s1
InChIKeyDZMCDONASMBAFF-MRXNPFEDSA-N
XLogP1.41
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide
CID 125445949
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)propanamide
CID 125431122
3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 8798720
3-acetamido-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide
CID 110355080
N-[2-(azepan-1-yl)-2-phenylethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 74231388
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide
CID 124846032
N-[2-(azepan-1-yl)-2-phenylethyl]-3-(methanesulfonamido)propanamide
CID 118765593
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide
CID 125158955
3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 51265428
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970
N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide
CID 112503144
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506628

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide (CID 99972818) is N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide is O=C(CCn1cnnn1)NC[C@H](c1ccccc1)N1CCCCC1.
What is the InChIKey of N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is DZMCDONASMBAFF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N6O/c24-17(9-12-23-14-19-20-21-23)18-13-16(15-7-3-1-4-8-15)22-10-5-2-6-11-22/h1,3-4,7-8,14,16H,2,5-6,9-13H2,(H,18,24)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide?
N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 99972818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).